3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one

C23H16N2O — CID 90891015

IUPAC3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2O/c26-23-22(17-11-5-7-13-20(17)25-23)21(15-8-2-1-3-9-15)18-14-24-19-12-6-4-10-16(18)19/h1-14,24H,(H,25,26)
InChIKeyLFKMFGQWSBAQSB-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.08
Rot. Bonds2

About 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one

3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one (PubChem CID 90891015) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one
PubChem CID90891015
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=C(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H16N2O/c26-23-22(17-11-5-7-13-20(17)25-23)21(15-8-2-1-3-9-15)18-14-24-19-12-6-4-10-16(18)19/h1-14,24H,(H,25,26)
InChIKeyLFKMFGQWSBAQSB-UHFFFAOYSA-N
XLogP5.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)-(1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 91467411
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
(3Z)-3-(1-phenylethylidene)-1H-indol-2-one
CID 12761441
2-(1H-indol-3-yl)-2-(3-oxo-1H-indol-2-ylidene)acetonitrile
CID 85433682
[(E)-(2-oxo-1H-indol-3-ylidene)-phenylmethyl] trifluoromethanesulfonate
CID 102581847
(2Z)-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-3-phenylpropanenitrile
CID 6069069
3-[(4-chlorophenyl)-(1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 70197611
(Z)-3-bromo-3-(1H-indol-3-yl)-1-phenylprop-2-en-1-one
CID 101407853
3-(benzhydrylidenehydrazinylidene)-1H-indol-2-one
CID 135521199
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one (CID 90891015) is 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=C(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one?
The InChIKey is LFKMFGQWSBAQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23-22(17-11-5-7-13-20(17)25-23)21(15-8-2-1-3-9-15)18-14-24-19-12-6-4-10-16(18)19/h1-14,24H,(H,25,26).
What are the key properties of 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one?
3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one has a molecular weight of 336.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(phenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 90891015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).